(2S)-2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide

C15H17ClN2O3 — CID 95222725

IUPAC(2S)-2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide
SMILESCCc1cc(CN(C)C(=O)[C@@H](O)c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H17ClN2O3/c1-3-12-8-13(21-17-12)9-18(2)15(20)14(19)10-4-6-11(16)7-5-10/h4-8,14,19H,3,9H2,1-2H3/t14-/m0/s1
InChIKeyNJPQORPISQAHHH-AWEZNQCLSA-N
MW308.77 g/mol
LogP2.58
Rot. Bonds5

About (2S)-2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide

(2S)-2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide (PubChem CID 95222725) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide
PubChem CID95222725
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name(2S)-2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide
SMILESCCc1cc(CN(C)C(=O)[C@@H](O)c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H17ClN2O3/c1-3-12-8-13(21-17-12)9-18(2)15(20)14(19)10-4-6-11(16)7-5-10/h4-8,14,19H,3,9H2,1-2H3/t14-/m0/s1
InChIKeyNJPQORPISQAHHH-AWEZNQCLSA-N
XLogP2.58
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 72940380
3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide
CID 72893992
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide
CID 91787193
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,1-dimethylindole-2-carboxamide
CID 56758140
(2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride
CID 154895539
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,5-dimethyl-1H-indazole-3-carboxamide
CID 56703447
(2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide
CID 95144078
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 56714839
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide
CID 97279930
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70718184
2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid
CID 71094579
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid
CID 75384716

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide (CID 95222725) is (2S)-2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide is CCc1cc(CN(C)C(=O)[C@@H](O)c2ccc(Cl)cc2)on1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide?
The InChIKey is NJPQORPISQAHHH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-3-12-8-13(21-17-12)9-18(2)15(20)14(19)10-4-6-11(16)7-5-10/h4-8,14,19H,3,9H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide?
(2S)-2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide has a molecular weight of 308.77 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 95222725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).